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    Theoretical Calculations of Second and Third-Order Nonlinear Susceptibilities and Their Corresponding Hyperpolarizabilities of a Styrylquinolinium Dye
    (IEEE, 2014) Karakas, A.; Ceylan, Y.; Bakalska, R.; Todorova, M.; Sofiani, Z.; Sahraoui, B.
    The second (chi((2))(exp)) and third-order (chi((3))(exp)) susceptibilities of a styrylquinolinium dye (1) have been determined utilizing second-harmonic generation (SHG) and third-harmonic generation (THG) techniques, respectively. The reported measurement findings on chi((2))(exp) and chi((3))(exp) have been compared with the theoretical data evaluated here by means of ab-initio quantum mechanical calculations. The electric dipole moments (mu), static dipole polarizabilities (alpha) and first hyperpolarizabilities (beta) have been computed by density functional theory (DFT) at B3LYP/6-311+G(d, p) level. To reveal the frequency-dependent second and third-order microscopic nonlinear optical (NLO) behavior of the title compound, the dynamic dipole polarizabilities, first and second (gamma) hyperpolarizabilities have been theoretically investigated using time-dependent Hartree-Fock (TDHF) method. According to the experimental and theoretical results, the values of susceptibilities and the corresponding microscopic coefficients with large non-zero responses make the examined dye promising candidate for NLO applications.
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    Z-Scan Determination and Ab-Initio Computations on Third-Order Optical Nonlinearities of a Styrylquinolinium Dye
    (IEEE, 2014) Karakas, A.; Sofiani, Z.; Ceylan, Y.; Taser, M.; Bakalska, R.; Todorova, M.; Sahraoui, B.
    In order to elucidate the third-order nonlinear optical (NLO) phenomena of the styrylquinolinium dye (1), the nonlinear absorption parameter (beta) and third-order susceptibility (chi((3))) have been measured using the Z-scan measurements. The one-photon absorption (OPA) and two-photon absorption (TPA) characterizations have been determined by configuration interaction (CI) and time-dependent Hartree-Fock (TDHF) methods, respectively. The averaged (isotropic) second hyperpolarizability () allows the determination of the third-order optical response. The ab-initio calculation on with non-zero value reveals that the title dye has relatively good third-order NLO properties. The calculated results of 1 on OPA wavelength, TPA cross-section (delta(omega)) and third-order susceptibility are in reasonable agreement with its experimental data.